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1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid

1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name:1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
Openeye Name:1-[benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CAS Name:1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid
IUPAC Name:1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
Traditional Name:1-[benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]pipecolinic acid
Formula: C24H27NO5S
MolecularWeight: 441.53988
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O


Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O


InChI

InChI=1S/C24H27NO5S/c1-28-19-12-15(13-20(29-2)23(19)30-3)22(25-11-7-6-9-18(25)24(26)27)17-14-31-21-10-5-4-8-16(17)21/h4-5,8,10,12-14,18,22H,6-7,9,11H2,1-3H3,(H,26,27)


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